Structure of IDP91041
Crystal structure of transcriptional regulator VanUg, form I
Edit deposit information
- CSGID target
- IDP91041
- PDB Id
- 3TYR (NCBI MMDB)
- Authors
- P.J.Stogios,E.Evdokimova,Z.Wawrzak,A.Dong,F.Depardieu,P.Courvalin,I.Shabalin,M.Chruszcz,W.Minor,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)
- Responsible person
- Peter Stogios
- Responsible lab
- University of Calgary
- Deposition Date
- Sep 26, 2011
- Release Date
- Oct 12, 2011
Annotation
- Description
- The antibiotic vancomycin exerts its action by binding to an intermediate component of the bacterial cell wall synthesis pathway and inhibits the maturation of the cell wall. Vancomycin resistance type VanG is mediated by enzymes that modify peptidoglycan cell wall precursors such that they contain serine substituted for alanine; this single point mutation results in drastic decrease in the binding of vancomycin. One of the genes in the VanG operon is VanUg, which is a predicted transcription regulator of the expression of the VanG-type vancomycin resistance enzymes. This crystal structure shows VanUg adopts a helix-turn-helix (HTH) fold, typical of many bacterial transcription factors. This structure may assist with the understanding of the biology of VanG-type vancomycin resistance, and therefore may assist with the development of novel therapeutics to alleviate this type of antibiotic resistance.
- Functional assignment
- transcription regulator
Ligands
| Ligand code | Name | Ligand type |
|---|---|---|
| 175 | 3,5-dihydro-5-methylidene-4h-imidazol-4-on |
Structure information
Unit cell parameters
- Space Group
- P 21 21 21
- Unit Cell
-
a=52.25Å, b=53.02Å, c=55.58Å
α=90.00, β=90.00, γ=90.00 - Solvent content
- Matthews coefficient
- Resolution range
- 38.37-1.70Å (1.76-1.70Å)
- Rall(%)
- 16.0
- Rwork(%)
- 15.7 (23.7)
- Rfree(%)
- 19.8 (27.9)
- Num. observed reflections
- 18864 (3155)
- Num. Rfree reflections
- 963 (152)
- Completeness(%)
- 97.9 (95.0)
- Num Atoms
- 1184
- Num Waters
- 221
- Num Hetatoms
- 263
- Model mean isotropic B factor
- 18.880Å2
- RMSD bond length
- 0.016Å
- RMSD bond angle
- 1.470°
- RMSD dihedral angle
- 11.183°
- Filename uploaded
- 3TYR.pdb (uploaded on Oct 12, 2011 2:54 PM)
- Inserted
- Jul 29, 2011